UCSF

ZINC11804628

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.77 -4.97 -55.92 2 8 -1 128 348.36 7
Hi High (pH 8-9.5) 0.77 -4.41 -97.16 1 8 -2 130 347.352 7
Lo Low (pH 4.5-6) 0.77 -4.71 -73.3 3 8 0 130 349.368 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.